⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL532869 | 0.67 | — | — | |
| SCHEMBL9896475 | 0.60 | — | — | |
| SCHEMBL11373735 | 0.56 | — | — | |
| SCHEMBL11469968 | 0.41 | — | — | |
| SCHEMBL2213796 | 0.40 | — | — | |
| SCHEMBL11703522 | 0.39 | — | — | |
| Hydrochloric Acid SCHEMBL11491066 | 0.39 | — | — | |
| SCHEMBL16634429 | 0.39 | — | — | |
| SCHEMBL13977896 | 0.39 | — | — | |
| Ethylene SCHEMBL17700946 | 0.36 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017042557-A1 | GLYCOMIMETICS FOR USE FOR THE TREATMENT OF VASCULAR CALCIFICATION AND/OR ENDOTHELIAL DYSFUNCTION | MANCHESTER METROPOLITAN UNIVERSITY (GB) | 2017-03-16 | — | — | WO | disclosed |